#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju4 s ASN 2 N 0.00 -0.35 -0.99 7.83 4.22 -1.26 -5.09 114.94 119.31 2ju4 s ASN 2 Ca 0.00 0.14 -0.21 0.00 -2.14 0.00 0.00 52.86 50.65 2ju4 s ASN 2 Cb 0.00 0.43 0.08 0.00 1.28 0.00 0.00 41.25 43.04 2ju4 s ASN 2 CO 0.00 -0.63 1.34 -0.22 -2.04 0.00 0.00 177.10 175.55 2ju4 s LEU 3 N -1.78 4.05 0.16 3.54 2.96 -1.26 -4.96 118.68 121.39 2ju4 s LEU 3 Ca -0.07 -1.67 0.06 0.00 -0.22 0.00 0.00 54.13 52.23 2ju4 s LEU 3 Cb -0.01 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2ju4 s LEU 3 CO 0.00 -1.35 -0.12 -1.61 -1.32 0.00 0.00 176.35 171.95 2ju4 s GLU 4 N 4.17 1.14 -0.42 1.98 2.02 -1.26 -5.07 118.70 121.26 2ju4 s GLU 4 Ca 0.41 -1.45 -0.38 0.00 0.02 0.00 0.00 54.97 53.57 2ju4 s GLU 4 Cb -0.02 -0.85 -0.16 0.00 0.10 0.00 0.00 34.13 33.20 2ju4 s GLU 4 CO -0.10 0.13 1.51 -2.30 0.02 0.00 0.00 175.26 174.52 2ju4 n PRO 5 N -0.08 0.00 -2.63 0.39 -0.02 -1.26 -4.86 135.00 126.53 2ju4 n PRO 5 Ca -0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 2ju4 n PRO 5 Cb 0.60 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.79 2ju4 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ju4 s PRO 6 N 3.43 4.54 0.00 0.52 0.04 -1.26 -4.81 135.00 137.46 2ju4 s PRO 6 Ca 0.93 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2ju4 s PRO 6 Cb -1.26 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2ju4 s PRO 6 CO 0.64 -0.07 0.00 1.63 0.04 0.00 0.00 177.00 179.23 2ju4 n LYS 7 N 3.74 0.00 0.00 4.56 4.76 -1.26 -5.06 118.16 124.89 2ju4 n LYS 7 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2ju4 n LYS 7 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 2ju4 n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ju4 n ALA 8 N 0.00 0.00 -0.45 7.82 0.00 -1.26 -4.98 120.51 121.63 2ju4 n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ju4 n ALA 8 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2ju4 n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ju4 n GLU 9 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -5.09 120.64 113.71 2ju4 n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ju4 n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2ju4 n GLU 9 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2ju4 n ARG 11 N 13.51 3.35 0.00 3.49 3.00 -1.26 -5.09 116.66 133.66 2ju4 n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ju4 n ARG 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2ju4 n ARG 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ju4 n SER 12 N 0.00 0.00 -3.45 6.15 7.64 -1.26 -5.04 113.62 117.66 2ju4 n SER 12 Ca 0.00 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.17 2ju4 n SER 12 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2ju4 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ju4 s ALA 13 N 0.00 -0.04 0.35 -0.43 0.00 -1.26 -5.14 121.76 115.24 2ju4 s ALA 13 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2ju4 s ALA 13 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2ju4 s ALA 13 CO 0.00 -1.73 0.54 0.95 0.00 0.00 0.00 175.76 175.52 2ju4 s THR 14 N 2.18 4.81 0.00 0.00 -4.23 -1.26 -5.01 115.64 112.13 2ju4 s THR 14 Ca 0.10 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2ju4 s THR 14 Cb -0.15 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2ju4 s THR 14 CO -0.32 -0.45 0.49 0.54 -0.54 0.00 0.00 174.62 174.34 2ju4 n ARG 15 N -1.78 0.00 -1.83 3.99 1.74 -1.26 -5.08 116.66 112.44 2ju4 n ARG 15 Ca -0.04 -0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.14 2ju4 n ARG 15 Cb 0.57 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.52 2ju4 n ARG 15 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ju4 s VAL 16 N 0.00 2.38 -0.70 1.55 1.01 -1.26 -4.86 120.40 118.52 2ju4 s VAL 16 Ca 0.00 0.23 0.26 0.00 0.00 0.00 0.00 61.98 62.47 2ju4 s VAL 16 Cb 0.00 -3.15 0.26 0.00 0.00 0.00 0.00 36.38 33.49 2ju4 s VAL 16 CO 0.00 0.02 1.70 0.00 0.00 0.00 0.00 175.10 176.81 2ju4 h MET 17 N 7.05 0.00 0.00 2.72 -0.00 -2.07 -3.47 114.93 119.16 2ju4 h MET 17 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.27 2ju4 h MET 17 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 2ju4 h MET 17 CO 0.94 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.26 2ju4 n GLY 18 N 1.30 0.70 1.63 -3.00 0.00 -1.26 -4.94 105.19 99.62 2ju4 n GLY 18 Ca 0.05 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2ju4 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju4 n GLY 19 N 0.00 -4.39 0.00 -0.02 0.00 -1.26 -5.09 105.19 94.43 2ju4 n GLY 19 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2ju4 n GLY 19 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ju4 n PRO 20 N -1.83 3.72 0.00 1.61 -0.02 -1.26 -5.23 135.00 131.99 2ju4 n PRO 20 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ju4 n PRO 20 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 2ju4 n PRO 20 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2ju4 n THR 22 N 0.00 0.00 -0.92 3.45 5.66 -1.26 -5.22 114.28 115.99 2ju4 n THR 22 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2ju4 n THR 22 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 2ju4 n THR 22 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2ju4 n PRO 23 N 0.00 -0.25 0.00 1.09 -0.02 -1.26 -5.01 135.00 129.55 2ju4 n PRO 23 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2ju4 n PRO 23 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2ju4 n PRO 23 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ju4 n ARG 24 N 1.17 0.00 0.00 -0.52 1.74 -1.26 -5.00 116.66 112.78 2ju4 n ARG 24 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ju4 n ARG 24 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2ju4 n ARG 24 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2ju4 n LYS 25 N 0.00 0.00 -0.39 5.56 -0.00 -1.26 -4.82 118.16 117.25 2ju4 n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2ju4 n LYS 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2ju4 n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ju4 n GLY 26 N 1.76 -0.55 2.93 2.58 0.00 -1.26 -4.51 105.19 106.15 2ju4 n GLY 26 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2ju4 n GLY 26 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ju4 n PRO 27 N 1.54 -4.22 -0.71 1.61 -0.02 -1.26 -4.95 135.00 126.99 2ju4 n PRO 27 Ca 0.00 -1.26 -0.32 0.00 -2.02 0.00 0.00 63.50 59.90 2ju4 n PRO 27 Cb 0.00 -1.71 0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2ju4 n PRO 27 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ju4 n PRO 28 N -4.94 -1.06 -3.76 0.52 -0.02 -1.26 -5.18 135.00 119.31 2ju4 n PRO 28 Ca 0.12 -0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.05 2ju4 n PRO 28 Cb 0.52 -1.81 -0.17 0.00 -0.02 0.00 0.00 33.50 32.03 2ju4 n PRO 28 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ju4 s LYS 29 N -3.60 0.75 1.02 -0.52 -2.85 -1.26 -5.14 119.74 108.14 2ju4 s LYS 29 Ca 0.57 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 2ju4 s LYS 29 Cb -0.17 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 2ju4 s LYS 29 CO 0.66 -0.59 0.00 0.36 0.10 0.00 0.00 175.35 175.88 2ju4 n LYS 31 N 5.03 0.00 0.00 1.78 2.85 -1.26 -5.17 118.16 121.39 2ju4 n LYS 31 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 2ju4 n LYS 31 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2ju4 n LYS 31 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2ju4 n GLN 32 N 1.96 0.00 0.00 -1.58 7.27 -1.26 -4.92 117.38 118.85 2ju4 n GLN 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2ju4 n GLN 32 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2ju4 n GLN 32 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2ju4 n ARG 33 N 9.24 0.00 0.00 3.69 0.63 -1.26 -5.09 116.66 123.87 2ju4 n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ju4 n ARG 33 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2ju4 n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ju4 n GLN 34 N 0.00 0.00 0.33 -0.14 -0.00 -1.26 -4.96 117.38 111.35 2ju4 n GLN 34 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.00 57.20 2ju4 n GLN 34 Cb 0.00 0.00 1.08 0.00 -0.00 0.00 0.00 30.24 31.32 2ju4 n GLN 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ju4 h THR 35 N 0.02 0.08 -0.97 -0.39 1.03 -1.98 -2.48 112.91 108.22 2ju4 h THR 35 Ca 0.00 0.00 0.29 0.00 -0.01 0.00 0.00 66.41 66.69 2ju4 h THR 35 Cb 0.01 0.91 -0.17 0.00 -1.07 0.00 0.00 68.15 67.83 2ju4 h THR 35 CO 0.00 0.00 0.16 0.08 -0.01 0.00 0.00 175.52 175.75 2ju4 h ARG 36 N 0.00 0.04 0.00 0.00 0.11 -1.93 -3.37 114.38 109.24 2ju4 h ARG 36 Ca 0.01 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ju4 h ARG 36 Cb 0.19 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2ju4 h ARG 36 CO -0.00 0.03 0.00 0.94 0.10 0.00 0.00 179.97 181.04 2ju4 n GLN 37 N -5.40 0.00 -0.96 0.08 0.00 -0.94 -4.15 117.38 106.02 2ju4 n GLN 37 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 2ju4 n GLN 37 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.08 2ju4 n GLN 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2ju4 n LYS 39 N 4.95 -0.05 -0.28 3.69 4.81 -1.26 -5.07 118.16 124.95 2ju4 n LYS 39 Ca 0.00 0.01 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 2ju4 n LYS 39 Cb 0.00 -2.84 0.18 0.00 0.02 0.00 0.00 35.03 32.40 2ju4 n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2ju4 h SER 40 N 0.00 -0.38 -4.97 3.14 4.64 -1.94 -3.41 113.55 110.63 2ju4 h SER 40 Ca 0.00 0.21 -0.18 0.00 -0.47 0.00 0.00 61.79 61.35 2ju4 h SER 40 Cb 0.03 0.38 -0.20 0.00 -0.31 0.00 0.00 62.40 62.29 2ju4 h SER 40 CO 0.00 -0.21 -0.70 -0.54 -0.87 0.00 0.00 176.83 174.50 2ju4 s LYS 41 N -6.10 0.40 0.72 4.77 1.02 -1.26 -5.15 119.74 114.14 2ju4 s LYS 41 Ca -0.13 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 54.97 2ju4 s LYS 41 Cb 0.24 0.05 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 2ju4 s LYS 41 CO 0.76 -0.04 1.16 -1.25 -0.92 0.00 0.00 175.35 175.06 2ju4 s PRO 42 N -1.89 2.33 0.03 -1.68 0.04 -1.26 -4.98 135.00 127.60 2ju4 s PRO 42 Ca -0.11 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2ju4 s PRO 42 Cb -0.07 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2ju4 s PRO 42 CO -0.02 -1.65 1.15 -1.25 0.04 0.00 0.00 177.00 175.26 2ju4 s PRO 43 N -4.07 4.45 0.35 0.56 0.04 -1.26 -4.93 135.00 130.15 2ju4 s PRO 43 Ca 0.70 1.67 0.19 0.00 0.04 0.00 0.00 61.00 63.61 2ju4 s PRO 43 Cb -0.25 -3.40 0.19 0.00 0.04 0.00 0.00 34.50 31.08 2ju4 s PRO 43 CO 0.45 -0.23 1.50 1.57 0.04 0.00 0.00 177.00 180.33 2ju4 h LYS 44 N 6.89 0.00 0.00 4.56 2.10 -1.99 -3.39 116.57 124.74 2ju4 h LYS 44 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2ju4 h LYS 44 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2ju4 h LYS 44 CO 0.81 0.24 0.00 1.17 -2.00 0.00 0.00 179.45 179.67 2ju4 n LYS 45 N -3.14 0.00 0.00 0.07 3.00 -1.26 -5.04 118.16 111.79 2ju4 n LYS 45 Ca 0.03 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2ju4 n LYS 45 Cb 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 35.08 2ju4 n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ju4 n GLY 46 N 2.16 -0.09 1.77 3.14 0.00 -1.26 -4.80 105.19 106.11 2ju4 n GLY 46 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2ju4 n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ju4 n VAL 47 N 0.00 0.00 -0.22 1.61 0.31 -1.26 -4.70 118.33 114.06 2ju4 n VAL 47 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2ju4 n VAL 47 Cb 0.00 -0.62 0.50 0.00 -0.91 0.00 0.00 33.84 32.81 2ju4 n VAL 47 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ju4 h GLN 48 N 0.00 0.42 0.00 5.55 -0.00 -2.03 -3.40 115.11 115.65 2ju4 h GLN 48 Ca -0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 2ju4 h GLN 48 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.84 2ju4 h GLN 48 CO 0.17 0.28 0.00 0.41 0.00 0.00 0.00 178.83 179.68 2ju4 n GLY 49 N -1.51 0.03 2.54 2.39 0.00 -1.26 -5.24 105.19 102.14 2ju4 n GLY 49 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2ju4 n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ju4 s GLY 51 N 0.00 1.18 0.06 -0.02 0.00 -1.26 -5.21 107.32 102.07 2ju4 s GLY 51 Ca 0.00 -2.18 -0.25 0.00 0.00 0.00 0.00 44.72 42.29 2ju4 s GLY 51 CO 0.00 1.90 1.39 -0.55 0.00 0.00 0.00 173.10 175.84 2ju4 h ASP 52 N 6.77 -1.00 -1.17 1.64 3.32 -2.00 -3.46 116.42 120.52 2ju4 h ASP 52 Ca 0.06 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2ju4 h ASP 52 Cb 0.95 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2ju4 h ASP 52 CO 0.35 -0.47 -0.05 -0.90 -1.72 0.00 0.00 179.24 176.45 2ju4 n ASP 53 N -4.57 -1.02 -4.44 6.45 5.75 -1.26 -4.26 116.55 113.21 2ju4 n ASP 53 Ca -0.08 0.11 -0.46 0.00 -0.01 0.00 0.00 54.79 54.34 2ju4 n ASP 53 Cb 0.32 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.09 2ju4 n ASP 53 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2ju4 n ILE 54 N 1.00 0.02 -2.30 2.12 5.41 -1.26 -4.89 119.36 119.47 2ju4 n ILE 54 Ca 0.00 -0.17 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 2ju4 n ILE 54 Cb 0.02 -1.07 0.13 0.00 -0.71 0.00 0.00 39.64 38.01 2ju4 n ILE 54 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ju4 s PRO 55 N 7.73 1.42 -0.53 0.38 0.04 -1.26 -4.11 135.00 138.67 2ju4 s PRO 55 Ca 1.22 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2ju4 s PRO 55 Cb -1.07 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2ju4 s PRO 55 CO 0.49 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2ju4 n GLY 56 N -3.16 0.35 0.18 0.56 0.00 -1.26 -4.44 105.19 97.42 2ju4 n GLY 56 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2ju4 n GLY 56 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ju4 h MET 57 N 0.00 0.00 0.00 1.61 4.05 -1.90 -2.06 114.93 116.63 2ju4 h MET 57 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2ju4 h MET 57 Cb 0.44 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2ju4 h MET 57 CO 0.15 0.00 -0.02 0.39 0.23 0.00 0.00 176.91 177.66 2ju4 n GLU 58 N -2.03 5.42 -0.10 0.39 1.02 -1.26 -5.05 120.64 119.02 2ju4 n GLU 58 Ca -0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 2ju4 n GLU 58 Cb 0.46 -0.51 -0.15 0.00 -0.02 0.00 0.00 31.44 31.21 2ju4 n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju4 n GLY 59 N 0.10 -0.88 0.00 0.62 0.00 -0.77 -4.99 105.19 99.26 2ju4 n GLY 59 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ju4 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju4 n GLY 61 N 1.84 -2.17 0.00 -0.02 0.00 -1.25 -4.56 105.19 99.03 2ju4 n GLY 61 Ca -0.35 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2ju4 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ju4 n THR 62 N 0.00 0.00 -0.22 2.61 -2.24 -1.26 -4.91 114.28 108.26 2ju4 n THR 62 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2ju4 n THR 62 Cb 0.00 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.35 2ju4 n THR 62 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2ju4 h ASP 63 N 0.00 0.27 0.00 3.42 3.32 -2.04 -3.39 116.42 118.00 2ju4 h ASP 63 Ca 0.00 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2ju4 h ASP 63 Cb 0.00 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.51 2ju4 h ASP 63 CO 0.00 0.16 0.09 0.00 -1.72 0.00 0.00 179.24 177.76 2ju4 n ILE 64 N -4.97 0.00 0.19 0.35 3.06 -1.26 -4.96 119.36 111.76 2ju4 n ILE 64 Ca 0.10 -0.65 0.11 0.00 -2.50 0.00 0.00 62.75 59.80 2ju4 n ILE 64 Cb 0.29 0.63 0.30 0.00 0.54 0.00 0.00 39.64 41.40 2ju4 n ILE 64 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2ju4 h THR 65 N 0.62 0.03 0.00 9.51 2.02 -1.91 -3.36 112.91 119.81 2ju4 h THR 65 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ju4 h THR 65 Cb 1.21 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2ju4 h THR 65 CO -0.17 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.24 2ju4 n VAL 66 N -2.83 0.00 -4.13 3.16 0.31 -1.26 -4.98 118.33 108.59 2ju4 n VAL 66 Ca 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 2ju4 n VAL 66 Cb 0.99 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.89 2ju4 n VAL 66 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2ju4 n ILE 67 N -0.25 0.00 0.32 2.52 2.08 -1.26 -5.15 119.36 117.62 2ju4 n ILE 67 Ca 0.00 -0.96 0.04 0.00 0.56 0.00 0.00 62.75 62.39 2ju4 n ILE 67 Cb 0.00 0.45 0.03 0.00 -0.75 0.00 0.00 39.64 39.37 2ju4 n ILE 67 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2ju4 n PRO 69 N -0.28 0.36 0.13 0.38 -0.02 -1.26 -5.03 135.00 129.28 2ju4 n PRO 69 Ca 0.02 -0.90 -0.02 0.00 -2.02 0.00 0.00 63.50 60.58 2ju4 n PRO 69 Cb 0.24 -1.13 0.15 0.00 -0.02 0.00 0.00 33.50 32.75 2ju4 n PRO 69 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2ju4 h TRP 70 N 1.41 0.03 0.00 6.00 7.01 -1.96 -2.86 115.95 125.59 2ju4 h TRP 70 Ca 0.00 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 2ju4 h TRP 70 Cb 0.31 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 2ju4 h TRP 70 CO 0.00 0.65 -0.36 0.93 -2.79 0.00 0.00 178.44 176.87 2ju4 h GLU 71 N 0.01 0.00 0.00 2.65 5.08 -1.97 0.03 114.58 120.38 2ju4 h GLU 71 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ju4 h GLU 71 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ju4 h GLU 71 CO 0.08 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 2ju4 h ALA 72 N 1.64 1.00 0.00 3.43 0.00 -1.94 -3.51 119.26 119.89 2ju4 h ALA 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ju4 h ALA 72 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ju4 h ALA 72 CO 0.05 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.59 2ju4 n ASN 74 N -2.41 0.00 -0.59 0.00 5.15 -0.01 -5.16 115.26 112.25 2ju4 n ASN 74 Ca 0.04 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.04 2ju4 n ASN 74 Cb 0.40 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.64 2ju4 n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ju4 n HIS 75 N 9.00 -0.34 0.00 1.20 1.44 -1.26 -5.04 115.22 120.22 2ju4 n HIS 75 Ca 0.00 0.18 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2ju4 n HIS 75 Cb 0.00 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 29.80 2ju4 n HIS 75 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ju4 n GLU 77 N -2.48 0.00 0.00 -1.40 0.00 -1.26 -4.96 120.64 110.54 2ju4 n GLU 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2ju4 n GLU 77 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.82 2ju4 n GLU 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ju4 n LEU 78 N 0.00 0.00 0.00 -1.84 4.32 -1.26 -4.75 117.00 113.47 2ju4 n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2ju4 n LEU 78 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2ju4 n LEU 78 CO 0.00 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 177.74 2ju4 n HIS 79 N 14.00 0.00 -0.02 -1.77 -0.00 -1.26 -4.85 115.22 121.32 2ju4 n HIS 79 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2ju4 n HIS 79 Cb 0.00 -1.11 -0.11 0.00 -0.12 0.00 0.00 29.99 28.66 2ju4 n HIS 79 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2ju4 h GLU 80 N 0.56 -0.03 0.00 1.57 4.22 -2.02 -3.13 114.58 115.75 2ju4 h GLU 80 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ju4 h GLU 80 Cb 0.48 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ju4 h GLU 80 CO 0.00 0.63 0.00 1.28 -2.18 0.00 0.00 179.01 178.74 2ju4 n LEU 81 N -4.77 0.00 -4.74 1.64 7.99 -1.26 -4.82 117.00 111.03 2ju4 n LEU 81 Ca -0.09 0.38 -0.34 0.00 -0.01 0.00 0.00 56.01 55.95 2ju4 n LEU 81 Cb 0.33 -0.38 0.07 0.00 -0.11 0.00 0.00 43.42 43.33 2ju4 n LEU 81 CO 0.32 -0.06 0.78 0.00 -1.51 0.00 0.00 177.39 176.92 2ju4 s ALA 82 N -2.76 2.30 0.00 -1.18 0.00 -1.18 -4.94 121.76 114.00 2ju4 s ALA 82 Ca 0.19 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2ju4 s ALA 82 Cb 0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2ju4 s ALA 82 CO 0.42 -1.57 0.00 0.00 0.00 0.00 0.00 175.76 174.61 2ju4 n GLN 83 N -2.44 0.00 -2.72 0.00 10.64 -1.26 -5.05 117.38 116.55 2ju4 n GLN 83 Ca 0.12 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.24 2ju4 n GLN 83 Cb 0.51 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.93 2ju4 n GLN 83 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2ju4 n TYR 84 N -0.26 -2.37 0.00 2.61 9.36 -1.26 -4.93 117.16 120.31 2ju4 n TYR 84 Ca 0.00 -1.18 0.00 0.00 3.32 0.00 0.00 57.90 60.04 2ju4 n TYR 84 Cb 0.00 1.34 0.00 0.00 -0.63 0.00 0.00 39.34 40.05 2ju4 n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ju4 n GLY 85 N 2.25 0.00 0.00 2.98 0.00 -1.26 -5.35 105.19 103.81 2ju4 n GLY 85 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2ju4 n GLY 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61